N-[(Z)-[3-[(4-bromophenyl)methyl]-4-chloro-2-oxo-1,3-thiazol-5-yl]methylideneamino]-4-chlorobenzamide
Formula:C18H12N3O2BrCl2S
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
N-[(Z)-[3-[(4-bromophenyl)methyl]-4-chloro-2-oxo-1,3-thiazol-5-yl]methylideneamino]-4-chlorobenzamide is a drug-like molecule.
| MolName | N-[(Z)-[3-[(4-bromophenyl)methyl]-4-chloro-2-oxo-1,3-thiazol-5-yl]methylideneamino]-4-chlorobenzamide |
| MolecularFormula | C18H12N3O2BrCl2S |
| Smiles | O=C(c(cc1)ccc1Cl)N/N=C\C(SC(N1Cc(cc2)ccc2Br)=O)=C1Cl |
| InChI | InChI=1S/C18H12BrCl2N3O2S/c19-13-5-1-11(2-6-13)10-24-16(21)15(27-18(24)26)9-22-23-17(25)12-3-7-14(20)8-4-12/h1-9H,10H2,(H,23,25) |
| InChIK | LIGUEBRDJGLSQQ-UHFFFAOYSA-N |
| TotalMolweight | 485.188 |
| Molweight | 485.188 |
| MonoisotopicMass | 482.921062 |
| CLogP | 4.9031 |
| CLogS | -6.898 |
| H Acceptors | 5 |
| H Donors | 1 |
| TotalSurfaceArea | 305.18 |
| Relative PSA | 0.22967 |
| PolarSurfaceArea | 87.07 |
| Druglikeness | 5.6415 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | polar activated DB; acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.66667 |
| Fragments | 1 |
| Non HAtoms | 27 |
| NonCHAtoms | 9 |
| Electronegative Atoms | 9 |
| Rotatable Bond | 5 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 2 |
| Symmetricatoms | 4 |
| Amides | 1 |
| StereoCon |
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1 - N-[(Z)-[3-[(4-bromophenyl)methyl]-4-chloro-2-oxo-1,3-thiazol-5-yl]methylideneamino]-4-chlorobenzamide | 2 - N-[(Z)-[3-[(4-bromophenyl)methyl]-4-chloro-2-oxo-1,3-thiazol-5-yl]methylideneamino]-4-chlorobenzamide
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